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CAS 1732-25-8 4-Bromo-1,2,3,6,7,8-hexahydropyrene molecular structure lightbox
CAS RN: 1732-25-8

4-Bromo-1,2,3,6,7,8-hexahydropyrene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260104 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-076057
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥96%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1732-25-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥96% 0 Out of Stock Hong Kong Inquiry

1732-25-8 / 4-bromo-1,2,3,6,7,8-hexahydropyrene

Standard CAS: 1732-25-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1732-25-8
Multi CAS
No
Molecular Formula
C16H15Br
Molecular Weight
287.190000
Exact Mass
286.035710
SMILES
C1CC2=C3C(=CC(=C4C3=C(CCC4)C=C2)Br)C1
InChI
InChI=1S/C16H15Br/c17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h7-9H,1-6H2
InChIKey
SIJTUAANVIVBQW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.38
Molar refractivity
75.7
TPSA
0.0000

LogP / Solubility

WLOGP
4.58
MLOGP
4.04
XLogP3
5.5
Consensus LogP
4.71
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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